2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole

C35H25N3O — CID 170071878

IUPAC2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3nc4ccccc4o3)c2)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H25N3O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)32-23-31(26-12-5-2-6-13-26)36-34(37-32)28-14-9-15-29(22-28)35-38-30-16-7-8-17-33(30)39-35/h1-23,32H,(H,36,37)
InChIKeyJLXPCKCCPGYJQB-UHFFFAOYSA-N
MW503.61 g/mol
LogP8.29
Rot. Bonds5

About 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole

2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 170071878) has the molecular formula C35H25N3O and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID170071878
Molecular FormulaC35H25N3O
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC Name2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3nc4ccccc4o3)c2)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H25N3O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)32-23-31(26-12-5-2-6-13-26)36-34(37-32)28-14-9-15-29(22-28)35-38-30-16-7-8-17-33(30)39-35/h1-23,32H,(H,36,37)
InChIKeyJLXPCKCCPGYJQB-UHFFFAOYSA-N
XLogP8.29
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 174321370
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
CID 123838452
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole (CID 170071878) is 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole is C1=C(c2ccccc2)NC(c2cccc(-c3nc4ccccc4o3)c2)=NC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is JLXPCKCCPGYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)32-23-31(26-12-5-2-6-13-26)36-34(37-32)28-14-9-15-29(22-28)35-38-30-16-7-8-17-33(30)39-35/h1-23,32H,(H,36,37).
What are the key properties of 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole?
2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 503.61 g/mol, XLogP of 8.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 170071878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).